3,6-Bis(4-nitrophenyl)-1,2,4,5-tetrazine

Base Information

• Chemical Name: 3,6-Bis(4-nitrophenyl)-1,2,4,5-tetrazine
• CAS No.: 37932-42-6
• Molecular Formula: C14H8N6O4
• Molecular Weight: 324.255
• DSSTox Substance ID: DTXSID70518001
• Nikkaji Number: J1.906.678I
• Wikidata: Q82380350
• Mol file: 37932-42-6.mol

Synonyms:3,6-Bis(4-nitrophenyl)-1,2,4,5-tetrazine;37932-42-6;SCHEMBL4634221;DTXSID70518001

Chemical Property of 3,6-Bis(4-nitrophenyl)-1,2,4,5-tetrazine

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 324.06070276
• Heavy Atom Count: 24
• Complexity: 401

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 3,6-Bis(4-nitrophenyl)-1,2,4,5-tetrazine

There total 7 articles about 3,6-Bis(4-nitrophenyl)-1,2,4,5-tetrazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

3,6-bis(4-nitrophenyl)-1,4-bis(tosyl)-1,4-dihydro-1,2,4,5-tetrazine (1448811-47-9) → 3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine (37932-42-6)

Guidance literature:

With tetrabutyl ammonium fluoride; In ethanol; Reflux;

DOI:10.1016/j.tetlet.2013.06.053

Reference yield:

3,6-bis-(4-nitro-phenyl)-1,2-dihydro-[1,2,4,5]tetrazine (53876-69-0) → 3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine (37932-42-6)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 0 ℃;

DOI:10.1515/hc-2013-0072

Reference yield:

C14H10N6O4 (53876-69-0) → 3,6-bis(4-nitrophenyl)-1,2,4,5-tetrazine (37932-42-6)

Guidance literature:

With acetic acid; sodium nitrite; at 0 ℃;

DOI:10.1039/c4ob00280f

upstream raw materials:

3,6-bis(4-nitrophenyl)-1,4-bis(tosyl)-1,4-dihydro-1,2,4,5-tetrazine

N,N'-bis-(4-nitro-benzoyl)-hydrazine

4-nitro-benzoyl chloride

3,6-bis-(4-nitro-phenyl)-1,2-dihydro-[1,2,4,5]tetrazine

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